Structure of PDB 1oay Chain H Binding Site BS01
Receptor Information
>1oay Chain H (length=121) Species:
10090
(Mus musculus) [
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VQLQQSGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGRI
DPNGGGTKYNLKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARMWY
YGTYYFDYWGQGTTLTVSSAA
Ligand information
Ligand ID
FUR
InChI
InChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+
InChIKey
OEJYWOUVKXLNIN-WEVVVXLNSA-N
SMILES
Software
SMILES
CACTVS 3.341
[O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O
ACDLabs 10.04
O=C2OC=CN2/N=C/c1oc([N+]([O-])=O)cc1
CACTVS 3.341
[O-][N+](=O)c1oc(cc1)\C=N\N2C=COC2=O
OpenEye OEToolkits 1.5.0
c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]
Formula
C8 H5 N3 O5
Name
Furazolidone
ChEMBL
DrugBank
ZINC
ZINC000033821307
PDB chain
1oay Chain H Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
1oay
Antibody Multispecificity Mediated by Conformational Diversity
Resolution
2.66 Å
Binding residue
(original residue number in PDB)
W33 H35 K59 M99
Binding residue
(residue number reindexed from 1)
W32 H34 K58 M98
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=5.92,Kd=1.2uM
External links
PDB
RCSB:1oay
,
PDBe:1oay
,
PDBj:1oay
PDBsum
1oay
PubMed
12610298
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